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BDBM50167102 (4R,5R)-5-[(S)-(3-Chloro-phenyl)-hydroxy-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one::CHEMBL365467

SMILES: CN1[C@@H]([C@@H](O)c2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1

InChI Key: InChIKey=CKIVJANVCARMHY-NXHRZFHOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167102   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167102
PNG
((4R,5R)-5-[(S)-(3-Chloro-phenyl)-hydroxy-methyl]-1...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c1-20-16(21)11-15(12-6-3-2-4-7-12)17(20)18(22)13-8-5-9-14(19)10-13/h2-10,15,17-18,22H,11H2,1H3/t15-,17-,18+/m1/s1
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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair